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Cross Validation and Maximum Likelihood estimations of hyper-parameters of Gaussian processes with model misspecification

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  • Bachoc, François

Abstract

The Maximum Likelihood (ML) and Cross Validation (CV) methods for estimating covariance hyper-parameters are compared, in the context of Kriging with a misspecified covariance structure. A two-step approach is used. First, the case of the estimation of a single variance hyper-parameter is addressed, for which the fixed correlation function is misspecified. A predictive variance based quality criterion is introduced and a closed-form expression of this criterion is derived. It is shown that when the correlation function is misspecified, the CV does better compared to ML, while ML is optimal when the model is well-specified. In the second step, the results of the first step are extended to the case when the hyper-parameters of the correlation function are also estimated from data.

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  • Bachoc, François, 2013. "Cross Validation and Maximum Likelihood estimations of hyper-parameters of Gaussian processes with model misspecification," Computational Statistics & Data Analysis, Elsevier, vol. 66(C), pages 55-69.
  • Handle: RePEc:eee:csdana:v:66:y:2013:i:c:p:55-69
    DOI: 10.1016/j.csda.2013.03.016
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    Cited by:

    1. François Bachoc & Emile Contal & Hassan Maatouk & Didier Rullière, 2017. "Gaussian processes for computer experiments," Post-Print hal-01665936, HAL.
    2. Marrel, Amandine & Iooss, Bertrand, 2024. "Probabilistic surrogate modeling by Gaussian process: A review on recent insights in estimation and validation," Reliability Engineering and System Safety, Elsevier, vol. 247(C).
    3. Betancourt, José & Bachoc, François & Klein, Thierry & Idier, Déborah & Pedreros, Rodrigo & Rohmer, Jérémy, 2020. "Gaussian process metamodeling of functional-input code for coastal flood hazard assessment," Reliability Engineering and System Safety, Elsevier, vol. 198(C).
    4. Kleijnen, Jack P.C. & Mehdad, E., 2013. "Conditional simulation for efficient global optimization," Other publications TiSEM 52e4860d-9887-4a63-b19a-7, Tilburg University, School of Economics and Management.
    5. Lee, Dongjin & Kramer, Boris, 2023. "Multifidelity conditional value-at-risk estimation by dimensionally decomposed generalized polynomial chaos-Kriging," Reliability Engineering and System Safety, Elsevier, vol. 235(C).
    6. Gerber, Florian & Nychka, Douglas W., 2021. "Parallel cross-validation: A scalable fitting method for Gaussian process models," Computational Statistics & Data Analysis, Elsevier, vol. 155(C).
    7. Aikaterini P. Kyprioti & Alexandros A. Taflanidis & Norberto C. Nadal-Caraballo & Madison O. Campbell, 2021. "Incorporation of sea level rise in storm surge surrogate modeling," Natural Hazards: Journal of the International Society for the Prevention and Mitigation of Natural Hazards, Springer;International Society for the Prevention and Mitigation of Natural Hazards, vol. 105(1), pages 531-563, January.
    8. Binois, M. & Ginsbourger, D. & Roustant, O., 2015. "Quantifying uncertainty on Pareto fronts with Gaussian process conditional simulations," European Journal of Operational Research, Elsevier, vol. 243(2), pages 386-394.
    9. Bachoc, François & Lagnoux, Agnès & Nguyen, Thi Mong Ngoc, 2017. "Cross-validation estimation of covariance parameters under fixed-domain asymptotics," Journal of Multivariate Analysis, Elsevier, vol. 160(C), pages 42-67.
    10. Marrel, Amandine & Iooss, Bertrand, 2024. "Probabilistic surrogate modeling by Gaussian process: A new estimation algorithm for more robust prediction," Reliability Engineering and System Safety, Elsevier, vol. 247(C).
    11. Cousin, Areski & Maatouk, Hassan & Rullière, Didier, 2016. "Kriging of financial term-structures," European Journal of Operational Research, Elsevier, vol. 255(2), pages 631-648.
    12. Acharki, Naoufal & Bertoncello, Antoine & Garnier, Josselin, 2023. "Robust prediction interval estimation for Gaussian processes by cross-validation method," Computational Statistics & Data Analysis, Elsevier, vol. 178(C).
    13. Jize Zhang & Alexandros A. Taflanidis & Norberto C. Nadal-Caraballo & Jeffrey A. Melby & Fatimata Diop, 2018. "Advances in surrogate modeling for storm surge prediction: storm selection and addressing characteristics related to climate change," Natural Hazards: Journal of the International Society for the Prevention and Mitigation of Natural Hazards, Springer;International Society for the Prevention and Mitigation of Natural Hazards, vol. 94(3), pages 1225-1253, December.
    14. Bachoc, François & Bevilacqua, Moreno & Velandia, Daira, 2019. "Composite likelihood estimation for a Gaussian process under fixed domain asymptotics," Journal of Multivariate Analysis, Elsevier, vol. 174(C).
    15. Auffray, Yves & Barbillon, Pierre & Marin, Jean-Michel, 2014. "Bounding rare event probabilities in computer experiments," Computational Statistics & Data Analysis, Elsevier, vol. 80(C), pages 153-166.
    16. Bachoc, François, 2014. "Asymptotic analysis of the role of spatial sampling for covariance parameter estimation of Gaussian processes," Journal of Multivariate Analysis, Elsevier, vol. 125(C), pages 1-35.
    17. Cousin, Areski & Maatouk, Hassan & Rullière, Didier, 2016. "Kriging of financial term-structures," European Journal of Operational Research, Elsevier, vol. 255(2), pages 631-648.

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